Geometry & MOs

Info

ID:	196056
PubChem CID:	78774438
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	411.057503
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	7.23
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2CCCO2)C)C=C(C#N)C(=O)N(C)C3CCCCC3

DOS

IR

Vibrations